N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C17H25F3N2O2S — CID 71796510

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H25F3N2O2S/c1-13(2)22-9-7-14(8-10-22)11-21-25(23,24)12-15-3-5-16(6-4-15)17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3
InChIKeyDLNXMUABYPWQEA-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.25
Rot. Bonds6

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796510) has the molecular formula C17H25F3N2O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796510
Molecular FormulaC17H25F3N2O2S
Molecular Weight378.46 g/mol
Exact Mass378.16
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H25F3N2O2S/c1-13(2)22-9-7-14(8-10-22)11-21-25(23,24)12-15-3-5-16(6-4-15)17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3
InChIKeyDLNXMUABYPWQEA-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796510) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CC(C)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DLNXMUABYPWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2S/c1-13(2)22-9-7-14(8-10-22)11-21-25(23,24)12-15-3-5-16(6-4-15)17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).